O-methyl N-[[1-[3-fluoranyl-4-[4-(3-morpholin-4-yl-2-oxidanyl-propanoyl)piperazin-1-yl]phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate

Systemtic Name: O-methyl N-[[1-[3-fluoranyl-4-[4-(3-morpholin-4-yl-2-oxidanyl-propanoyl)piperazin-1-yl]phenyl]-1,2,3-triazol-4-yl]methyl]carbamothioate Openeye Name: O-methyl N-[[1-[3-fluoro-4-[4-(2-hydroxy-3-morpholino-propanoyl)piperazin-1-yl]phenyl]triazol-4-yl]methyl]carbamothioate CAS Name: N-[[1-[3-fluoro-4-[4-[2-hydroxy-3-(4-morpholinyl)-1-oxopropyl]-1-piperazinyl]phenyl]-4-triazolyl]methyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[[1-[3-fluoro-4-[4-(2-hydroxy-3-morpholin-4-ylpropanoyl)piperazin-1-yl]phenyl]triazol-4-yl]methyl]carbamothioate Traditional Name: N-[[1-[3-fluoro-4-[4-(2-hydroxy-3-morpholino-propanoyl)piperazino]phenyl]triazol-4-yl]methyl]thiocarbamic acid O-methyl ester Formula: C22H30FN7O4S MolecularWeight: 507.581503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(CN4CCOCC4)O)F

Isomeric SMILES

COC(=S)NCC1=CN(N=N1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(CN4CCOCC4)O)F

InChI

InChI=1S/C22H30FN7O4S/c1-33-22(35)24-13-16-14-30(26-25-16)17-2-3-19(18(23)12-17)28-4-6-29(7-5-28)21(32)20(31)15-27-8-10-34-11-9-27/h2-3,12,14,20,31H,4-11,13,15H2,1H3,(H,24,35)